cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane

C12H20O2 — CID 89369308

IUPACcis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane
SMILESC=COC[C@H]1CCC[C@@H](COC=C)C1
InChIInChI=1S/C12H20O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+
InChIKeyLOOYJZBLGZKXQB-TXEJJXNPSA-N
MW196.29 g/mol
LogP3.11
Rot. Bonds6

About cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane

cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane (PubChem CID 89369308) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane
PubChem CID89369308
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane
SMILESC=COC[C@H]1CCC[C@@H](COC=C)C1
InChIInChI=1S/C12H20O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+
InChIKeyLOOYJZBLGZKXQB-TXEJJXNPSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane?
The IUPAC name of cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane (CID 89369308) is cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane.
What is the SMILES notation for cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane?
The canonical SMILES for cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane is C=COC[C@H]1CCC[C@@H](COC=C)C1.
What is the InChIKey of cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane?
The InChIKey is LOOYJZBLGZKXQB-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-13-9-11-6-5-7-12(8-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+.
What are the key properties of cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane?
cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane has a molecular weight of 196.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1,3-bis(ethenoxymethyl)cyclohexane is sourced from PubChem (CID 89369308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).